1-(3-fluorophenyl)-2-(3-methylphenyl)ethanamine

C15H16FN — CID 54945902

IUPAC1-(3-fluorophenyl)-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(CC(N)c2cccc(F)c2)c1
InChIInChI=1S/C15H16FN/c1-11-4-2-5-12(8-11)9-15(17)13-6-3-7-14(16)10-13/h2-8,10,15H,9,17H2,1H3
InChIKeyWREVFXGEIDXRKF-UHFFFAOYSA-N
MW229.30 g/mol
LogP3.38
Rot. Bonds3

About 1-(3-fluorophenyl)-2-(3-methylphenyl)ethanamine

1-(3-fluorophenyl)-2-(3-methylphenyl)ethanamine (PubChem CID 54945902) has the molecular formula C15H16FN and a molecular weight of 229.30 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(3-methylphenyl)ethanamine
PubChem CID54945902
Molecular FormulaC15H16FN
Molecular Weight229.30 g/mol
Exact Mass229.13
IUPAC Name1-(3-fluorophenyl)-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(CC(N)c2cccc(F)c2)c1
InChIInChI=1S/C15H16FN/c1-11-4-2-5-12(8-11)9-15(17)13-6-3-7-14(16)10-13/h2-8,10,15H,9,17H2,1H3
InChIKeyWREVFXGEIDXRKF-UHFFFAOYSA-N
XLogP3.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,5-dimethylphenyl)-1-(3-fluorophenyl)ethanamine
CID 61030374
1-(3-fluorophenyl)-2-phenylethanamine
CID 60818791
3-[1-amino-2-(3-methylphenyl)ethyl]-N,N-dimethylaniline
CID 105091075
2-(3-fluorophenyl)-1-phenylethanamine;hydrochloride
CID 25032833
2-(3-methylphenyl)-1-(3-methylsulfonylphenyl)ethanamine
CID 115790732
2-(4-fluoro-2-methylphenyl)-1-(3-fluorophenyl)ethanamine
CID 114347619
2-(4-chlorophenyl)-1-(3-fluorophenyl)ethanamine
CID 54941560
2-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62529987
2-(3-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine
CID 115795669
2-(3-fluorophenyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 62919131
2-(3-chlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine
CID 79704483
N-ethyl-2-(3-fluorophenyl)-3-(3-methylphenyl)propan-1-amine
CID 79440444

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(3-methylphenyl)ethanamine?
The IUPAC name of 1-(3-fluorophenyl)-2-(3-methylphenyl)ethanamine (CID 54945902) is 1-(3-fluorophenyl)-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 1-(3-fluorophenyl)-2-(3-methylphenyl)ethanamine is Cc1cccc(CC(N)c2cccc(F)c2)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(3-methylphenyl)ethanamine?
The InChIKey is WREVFXGEIDXRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN/c1-11-4-2-5-12(8-11)9-15(17)13-6-3-7-14(16)10-13/h2-8,10,15H,9,17H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-2-(3-methylphenyl)ethanamine?
1-(3-fluorophenyl)-2-(3-methylphenyl)ethanamine has a molecular weight of 229.30 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 54945902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).